相关论文: Mechanical behavior, bonding nature, and defect pr…

The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe$_2$ possesses two stacking arrangements, the Weyl semimetal T$_d$ phase, and…

Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…

Complex intermetallic materials known as MAX phases exhibit exceptional properties from both metals and ceramics, largely thanks to their nanolayered structure. With high-resolution scanning transmission electron microscopy supported by…

We measured the work of separation of single and few-layer MoS2 membranes from a SiOx substrate using a mechanical blister test, and found a value of 220 +- 35 mJ/m^2. Our measurements were also used to determine the 2D Young's modulus of a…

The structural, elastic, and electronic properties of newly synthesized Zr2(Al0.58Bi0.42)C, Zr2(Al0.2Sn0.8)C, and Zr2(Al0.3Sb0.7)C MAX nanolaminates have been studied using first-principles density functional theory (DFT) calculations for…

In this article, a detailed study of the recently synthesized MAX phase borides M2SB (M = Zr, Hf and Nb) has been performed via first principles technique. Investigation of mechanical hardness, elastic anisotropy, optical properties,…

By virtue of their open network structures and low densities, metal--organic frameworks (MOFs) are soft materials that exhibit elastic instabilities at low applied stresses. The conventional strategy for improving elastic stability is to…

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Nanomaterials based on MoS2 are remarkably versatile; MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and the hydrogen evolution reaction, and transition metal dichalcogenides in general have recently…

Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…

Monolithic realization of metallic 1T and semiconducting 2H polymorphic phases makes MoS2 a potential candidate for future microelectronic circuits. Though co-existence of these phases has been reported, a method for engineering a stable 1T…

We performed calculations of the electronic band structure and the Fermi surface as well as measured the longitudinal resistivity rhoxx(T,H), Hall resistivity rhoxy(T,H) and quantum oscillations of the magnetization as a function of…

We found a new cobalt oxide (CaOH)1.14CoO2 by utilizing the high-pressure technique. X-ray and electron diffraction studies revealed that the compound has layer structure which consists of CdI2-type CoO2 layers and rock-salt-type double…

Tetragonal Mo5PB2 compound, a recently discovered superconductor, belongs to technologically important class of materials. It is quite surprising to note that a large number of physical properties of Mo5PB2, including elastic properties and…

The quest towards expansion of the MAX design space has been accelerated with the recent discovery of several solid solution and ordered phases involving at least two MAX end members. Going beyond the nominal MAX compounds enables not only…

Recently discovered 2M phase of bulk WS$_2$ was observed to exhibit superconductivity with a critical temperature of 8.8 K, the highest reported among superconducting transition metal dichalcogenides. Also predicted to support protected…

We have synthesized polycrystalline samples of the noncentrosymmetric superconductor Mo3Al2C by arc and RF melting, measured its transport, magnetic and thermodynamic properties, and computed its band structure. Experimental results…

Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermodynamics properties of newly discovered bulk superconductors…

Solid-state nanofoaming experiments are conducted on two PMMA grades of markedly different molecular weight using CO$_2$ as the blowing agent. The sensitivity of porosity to foaming time and foaming temperature is measured. Also, the…

Electric conduction mechanisms are studied in the pressed nanoflake powder of the molybdenum-disulfide-oxide (MoSxOy) depending on their content and structure. The MoSxOy nanoflakes were prepared by reaction of (NH4)6Mo7O24 with thiourea in…